# Kinetics and mechanism of proton transport across membrane nanopores

Source: [Kinetics and mechanism of proton transport across membrane nanopores](<https://www.sota2.com/research/paper/68fa27832c2a3760193c2fc3>)

Collection index: [llms.txt](<https://www.sota2.com/research/llms.txt>)

Data updated: 2025-10-24T11:59:55.756Z

Authors: Christoph Dellago, Gerhard Hummer

Published: 2006-11-14T14:17:46.000Z

## Abstract

We use computer simulations to study the kinetics and mechanism of proton passage through a narrow-pore carbon-nanotube membrane separating reservoirs of liquid water. Free energy and rate constant calculations show that protons move across the membrane diffusively in single-file chains of hydrogen-bonded water molecules. Proton passage through the membrane is opposed by a high barrier along the effective potential, reflecting the large electrostatic penalty for desolvation and reminiscent of charge exclusion in biological water channels. At neutral pH, we estimate a translocation rate of about 1 proton per hour and tube.

## Recorded benchmark results

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## Original sources and implementation

[Original paper](<https://arxiv.org/abs/cond-mat/0611369>)

[PDF](<https://arxiv.org/pdf/cond-mat/0611369.pdf>)
